N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C15H17N3O4 — CID 2524643

IUPACN-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O
InChIInChI=1S/C15H17N3O4/c1-4-17-13(20)14(21)18(15(17)22)8-12(19)16-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,16,19)
InChIKeyTUHUYINZSVVBIF-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.05
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 2524643) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID2524643
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O
InChIInChI=1S/C15H17N3O4/c1-4-17-13(20)14(21)18(15(17)22)8-12(19)16-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,16,19)
InChIKeyTUHUYINZSVVBIF-UHFFFAOYSA-N
XLogP1.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 2524643) is N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is TUHUYINZSVVBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-17-13(20)14(21)18(15(17)22)8-12(19)16-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,16,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2524643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).